SCHEMBL9833214

SCHEMBL9833214

C/C=C/C=C/COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/C=C/C)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 10/20 0.72
CACNA1F O60840 9/20 0.72
CACNA1D Q01668 9/20 0.72
CACNA1S Q13698 9/20 0.72
ADORA3 P0DMS8 2/20 0.72
CACNA1B Q00975 2/20 0.72
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
MLNR O43193 1/20 0.68
NR1I2 O75469 1/20 0.68
CACNA1H O95180 1/20 0.68
NR3C1 P04150 1/20 0.68
TBXA2R P21731 1/20 0.68
HTT P42858 1/20 0.68
PDE4D Q08499 1/20 0.68
SLC29A1 Q99808 1/20 0.68
CYP1A2 P05177 4/20 0.67
CYP3A4 P08684 4/20 0.67
CYP2C9 P11712 4/20 0.67
CYP2C19 P33261 4/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9833218 1.00 CACNA1C (0.72) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9832530 0.98 CACNA1B (0.69) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9832526 0.98 CACNA1B (0.69) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9832509 0.97 CACNA1C (0.77) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9832517 0.97 CACNA1C (0.77) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9832499 0.96 CACNA1B (0.78) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9401501 0.96 CACNA1B (0.78) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9833636 0.96 MEN1 (0.74) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9833643 0.96 MEN1 (0.74) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7292165 0.96 CACNA1B (0.78) CACNA1CCACNA1FCACNA1DCACNA1SADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161877-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1991-05-29 EP disclosed
US-4672068-A Antihypertensive 1,4-dihydropyridines having a conjugated ester FUJIREBIO KABUSHIKI KAISHA (JP) 1987-06-09 US disclosed